Atomistry » Fluorine » PDB 2weg-2x2f » 2wu6
Atomistry »
  Fluorine »
    PDB 2weg-2x2f »
      2wu6 »

Fluorine in PDB 2wu6: Crystal Structure of the Human CLK3 in Complex with Dki

Enzymatic activity of Crystal Structure of the Human CLK3 in Complex with Dki

All present enzymatic activity of Crystal Structure of the Human CLK3 in Complex with Dki:
2.7.12.1;

Protein crystallography data

The structure of Crystal Structure of the Human CLK3 in Complex with Dki, PDB code: 2wu6 was solved by J.R.C.Muniz, O.Fedorov, O.King, P.Filippakopoulos, A.N.Bullock, C.Phillips, T.Heightman, E.Ugochukwu, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.74 / 1.92
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 89.150, 62.330, 74.150, 90.00, 96.04, 90.00
R / Rfree (%) 17 / 21.137

Other elements in 2wu6:

The structure of Crystal Structure of the Human CLK3 in Complex with Dki also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Human CLK3 in Complex with Dki (pdb code 2wu6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Human CLK3 in Complex with Dki, PDB code: 2wu6:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 2wu6

Go back to Fluorine Binding Sites List in 2wu6
Fluorine binding site 1 out of 2 in the Crystal Structure of the Human CLK3 in Complex with Dki


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Human CLK3 in Complex with Dki within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1484

b:28.6
occ:1.00
FAF A:DKI1484 0.0 28.6 1.0
CAU A:DKI1484 1.4 23.8 1.0
CAZ A:DKI1484 2.4 21.5 1.0
CAI A:DKI1484 2.4 22.7 1.0
NAQ A:DKI1484 2.8 20.8 1.0
CG2 A:VAL170 3.3 12.9 1.0
CAS A:DKI1484 3.3 21.2 1.0
SAE A:DKI1484 3.5 21.0 1.0
CG1 A:VAL170 3.6 10.5 1.0
CAV A:DKI1484 3.6 20.2 1.0
CAH A:DKI1484 3.7 19.4 1.0
CB A:VAL170 4.1 10.8 1.0
CAJ A:DKI1484 4.1 19.9 1.0
CB A:LYS186 4.2 9.7 1.0
O A:HOH2158 4.4 19.9 1.0
NBA A:DKI1484 4.4 19.2 1.0
CG A:LYS186 4.4 11.3 1.0
CD A:LYS186 4.4 13.6 1.0
O A:HOH2292 4.5 20.9 1.0
FAG A:DKI1484 4.7 20.7 1.0
O A:HOH2161 4.8 16.6 1.0
CE2 A:PHE236 4.8 8.9 1.0
CD2 A:PHE236 4.8 6.4 1.0
NAP A:DKI1484 4.9 20.0 1.0
CA A:LYS186 4.9 9.4 1.0

Fluorine binding site 2 out of 2 in 2wu6

Go back to Fluorine Binding Sites List in 2wu6
Fluorine binding site 2 out of 2 in the Crystal Structure of the Human CLK3 in Complex with Dki


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Human CLK3 in Complex with Dki within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1484

b:20.7
occ:1.00
FAG A:DKI1484 0.0 20.7 1.0
CAV A:DKI1484 1.3 20.2 1.0
CAJ A:DKI1484 2.3 19.9 1.0
CAZ A:DKI1484 2.4 21.5 1.0
NAQ A:DKI1484 2.7 20.8 1.0
CD2 A:LEU290 3.0 17.9 1.0
O A:HOH2131 3.1 13.0 1.0
O A:HOH2292 3.3 20.9 1.0
CAS A:DKI1484 3.6 21.2 1.0
CAH A:DKI1484 3.6 19.4 1.0
CAU A:DKI1484 3.6 23.8 1.0
CB A:ALA319 3.7 6.9 1.0
CG A:LEU290 3.7 14.8 1.0
O A:GLU287 3.7 9.4 1.0
CD1 A:LEU290 3.8 14.4 1.0
CAI A:DKI1484 4.1 22.7 1.0
SAE A:DKI1484 4.2 21.0 1.0
NBA A:DKI1484 4.4 19.2 1.0
NAP A:DKI1484 4.6 20.0 1.0
CA A:ASN288 4.6 8.4 1.0
O A:HOH2090 4.7 24.3 1.0
O A:HOH2158 4.7 19.9 1.0
FAF A:DKI1484 4.7 28.6 1.0
OD1 A:ASN288 4.8 8.0 1.0
C A:GLU287 4.8 10.0 1.0
C A:ASN288 4.9 8.9 1.0

Reference:

O.Fedorov, K.Huber, A.Eisenreich, P.Filippakopoulos, O.King, A.N.Bullock, D.Szklarczyk, L.J.Jensen, D.Fabbro, J.Trappe, U.Rauch, F.Bracher, S.Knapp. Specific Clk Inhibitors From A Novel Chemotype For Regulation of Alternative Splicing. Chem.Biol V. 18 67 2011.
ISSN: ISSN 1074-5521
PubMed: 21276940
DOI: 10.1016/J.CHEMBIOL.2010.11.009
Page generated: Sun Dec 13 11:41:09 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy